chempirical

3-[(Trifluoromethyl)thio]benzenamine

C7H6F3NSCAS 369-68-6193.19 g/mol

Open in Covalent MOL file
NH2SFFF
Alkyl halidePrimary amineSulfide

Properties

Molecular formula
C7H6F3NS
Molar mass
193.19 g/mol
Exact mass
193.0173 Da
Boiling point
108–110 °C (at 5 Torr)
logP
2.88Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
369-68-6
SMILES
Nc1cccc(SC(F)(F)F)c1
InChIKey
DENPAKQJZNDKEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzenamine, 3-[(trifluoromethyl)thio]-
  • Aniline, m-[(trifluoromethyl)thio]-
  • m-(Trifluoromethylthio)aniline
  • 3-Trifluoromethylthioaniline
  • 3-Aminophenyl trifluoromethyl sulfide
  • (3-((Trifluoromethyl)thio)phenyl)amine
  • 3-(Trifluoromethylthio)benzenamine
  • 3-Trifluoromethylsulfanylaniline

Work with 3-[(Trifluoromethyl)thio]benzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-3-[(trifluoromethyl)thio]benzene2252-45-158 % similar [(Trifluoromethyl)thio]benzene456-56-456 % similar 3-(Methylthio)benzenamine1783-81-953 % similar 3-Chloro-4-[(trifluoromethyl)thio]benzenamine64628-74-653 % similar 3-(Trifluoromethyl)aniline98-16-848 % similar M-Phenylenediamine108-45-248 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-945 % similar 3-Fluoroaniline372-19-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-[(Trifluoromethyl)thio]benzenamine347-55-7 4-[(Trifluoromethyl)thio]benzenamine372-16-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook